SCHEMBL6934616

SCHEMBL6934616

O=C(O)/C(=C\c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
HTT P42858 1/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 1/20 0.65
AKR1C3 P42330 4/20 0.60
AKR1C1 Q04828 2/20 0.60
PTGS2 P35354 2/20 0.60
AKR1C2 P52895 1/20 0.60
LTA4H P09960 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAAR1 Q96RJ0 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6934618 1.00 ALDH1A1 (0.67) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL30493211 0.88 ALDH1A1 (0.83) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL14064486 0.85 LTA4H (0.51) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL12485904 0.84 MEN1 (0.81) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL12485905 0.84 MEN1 (0.81) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL5219690 0.83 ALDH1A1 (0.67) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL5219694 0.83 ALDH1A1 (0.67) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL14565694 0.83 ALDH1A1 (0.67) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL5698669 0.81 KMT2A (0.55) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL5698662 0.81 KMT2A (0.55) ALDH1A1HTTMEN1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B ALDH1A1 314/4885HTT 4248/4885MEN1 4610/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A ALDH1A1 348/4885HTT 4315/4885MEN1 2461/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.